1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione

C14H12N2O4 — CID 134692239

IUPAC1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1NC(Cc2ccc(N3C(=O)C=CC3=O)cc2)CO1
InChIInChI=1S/C14H12N2O4/c17-12-5-6-13(18)16(12)11-3-1-9(2-4-11)7-10-8-20-14(19)15-10/h1-6,10H,7-8H2,(H,15,19)
InChIKeyVWTXQNVOJALVMC-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.77
Rot. Bonds3

About 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione

1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione (PubChem CID 134692239) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione
PubChem CID134692239
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1NC(Cc2ccc(N3C(=O)C=CC3=O)cc2)CO1
InChIInChI=1S/C14H12N2O4/c17-12-5-6-13(18)16(12)11-3-1-9(2-4-11)7-10-8-20-14(19)15-10/h1-6,10H,7-8H2,(H,15,19)
InChIKeyVWTXQNVOJALVMC-UHFFFAOYSA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(S)-4-(4-Aminobenzyl)oxazolidin-2-one
CID 7099156
N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011307
N-[[3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011309
N-[[(5S)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011311
N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011332
N-[[(5S)-2-oxo-3-(4-propylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011361
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetamide
CID 47311993
N-[[3-[4-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10474127
N-[[2-oxo-3-[4-[5-oxo-4-(prop-2-enylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22403836
N-[[2-oxo-3-[4-[3-oxo-4-(prop-2-enylamino)cyclohepta-1,4,6-trien-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44264529
3-[3-(1-Aminoethyl)phenyl]-1,3-oxazolidin-2-one
CID 45792665
3-(4-(1-Aminoethyl)phenyl)-1,3-oxazolidin-2-one hydrochloride
CID 119032033

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione (CID 134692239) is 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione is O=C1NC(Cc2ccc(N3C(=O)C=CC3=O)cc2)CO1.
What is the InChIKey of 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione?
The InChIKey is VWTXQNVOJALVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12-5-6-13(18)16(12)11-3-1-9(2-4-11)7-10-8-20-14(19)15-10/h1-6,10H,7-8H2,(H,15,19).
What are the key properties of 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione?
1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione has a molecular weight of 272.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1,3-oxazolidin-4-yl)methyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 134692239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).